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2-Bromo-5-hydroxybenzoicacid

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  • Name 2-Bromo-5-hydroxybenzoicacid
  • EINECSN/A
  • CAS No. 58380-11-3
  • Density1.861 g/cm3
  • PSA57.53000
  • LogP1.85290
  • SolubilityN/A
  • Melting Point185 °C (decomp)
  • FormulaC7H5BrO3
  • Boiling Point374.5 °C at 760 mmHg
  • Molecular Weight217.019
  • Flash Point180.3 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 58380-11-3 (2-bromo-5-hydroxybenzoic acid)
  • Hazard SymbolsN/A
  • SynonymsN/A

2-Bromo-5-hydroxybenzoicacid Specification

The CAS registry number of Benzoic acid, 2-bromo-5-hydroxy- is 58380-11-3. The systematic name is 2-Bromo-5-hydroxybenzoic acid. In addition, the molecular formula is C7H5BrO3 and the molecular weight is 217.02. What's more, it should be stored in sealed container, and put in a cool and dry place.

Physical properties about Benzoic acid, 2-bromo-5-hydroxy- are: (1)ACD/LogP: 1.99; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 57.53 Å2; (11)Index of Refraction: 1.654; (12)Molar Refractivity: 42.75 cm3; (13)Molar Volume: 116.5 cm3; (14)Polarizability: 16.94×10-24cm3; (15)Surface Tension: 68.1 dyne/cm; (16)Density: 1.861 g/cm3; (17)Flash Point: 180.3 °C; (18)Enthalpy of Vaporization: 65.61 kJ/mol; (19)Boiling Point: 374.5 °C at 760 mmHg; (20)Vapour Pressure: 2.83E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1cc(O)ccc1Br
(2)Std.InChI: InChI=1S/C7H5BrO3/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3,9H,(H,10,11)
(3)Std.InChIKey: HTCSAMJZDHWTKD-UHFFFAOYSA-N

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